N-(2-propylpentyl)oxan-4-amine

C13H27NO — CID 123828027

IUPACN-(2-propylpentyl)oxan-4-amine
SMILESCCCC(CCC)CNC1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-5-12(6-4-2)11-14-13-7-9-15-10-8-13/h12-14H,3-11H2,1-2H3
InChIKeyBCBRZUJOELQYMK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N-(2-propylpentyl)oxan-4-amine

N-(2-propylpentyl)oxan-4-amine (PubChem CID 123828027) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-propylpentyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-propylpentyl)oxan-4-amine
PubChem CID123828027
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-propylpentyl)oxan-4-amine
SMILESCCCC(CCC)CNC1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-5-12(6-4-2)11-14-13-7-9-15-10-8-13/h12-14H,3-11H2,1-2H3
InChIKeyBCBRZUJOELQYMK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylpentyl)oxan-4-amine?
The IUPAC name of N-(2-propylpentyl)oxan-4-amine (CID 123828027) is N-(2-propylpentyl)oxan-4-amine.
What is the SMILES notation for N-(2-propylpentyl)oxan-4-amine?
The canonical SMILES for N-(2-propylpentyl)oxan-4-amine is CCCC(CCC)CNC1CCOCC1.
What is the InChIKey of N-(2-propylpentyl)oxan-4-amine?
The InChIKey is BCBRZUJOELQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-12(6-4-2)11-14-13-7-9-15-10-8-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-propylpentyl)oxan-4-amine?
N-(2-propylpentyl)oxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylpentyl)oxan-4-amine is sourced from PubChem (CID 123828027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).